2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene

C7H10N4O3S — CID 57075836

IUPAC2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene
SMILESNNc1ccc(NS(=O)O)cc1C(N)=O
InChIInChI=1S/C7H10N4O3S/c8-7(12)5-3-4(11-15(13)14)1-2-6(5)10-9/h1-3,10-11H,9H2,(H2,8,12)(H,13,14)
InChIKeyQPTZEFCXICOYCZ-UHFFFAOYSA-N
MW230.25 g/mol
LogP-0.38
Rot. Bonds4

About 2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene

2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene (PubChem CID 57075836) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene.

Molecular Properties

Compound Name2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene
PubChem CID57075836
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Name2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene
SMILESNNc1ccc(NS(=O)O)cc1C(N)=O
InChIInChI=1S/C7H10N4O3S/c8-7(12)5-3-4(11-15(13)14)1-2-6(5)10-9/h1-3,10-11H,9H2,(H2,8,12)(H,13,14)
InChIKeyQPTZEFCXICOYCZ-UHFFFAOYSA-N
XLogP-0.38
TPSA130.47 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-carbamoyl-1-(sulfinoamino)benzene
CID 174718370
2-(2-amino-2-oxoethyl)-1-chloro-4-(sulfinoamino)benzene
CID 56974975
1-(cyclohexylamino)-2-methoxycarbonyl-4-(sulfinoamino)benzene
CID 54246963
1-bromo-3-carbamoyl-5-(sulfinoamino)benzene
CID 174661318
1-methyl-4-(sulfinoamino)benzene
CID 19072501
2-ethyl-1-methyl-4-(sulfinoamino)benzene
CID 156579229
5-amino-2-(4-bromoanilino)benzamide
CID 55125298
5-chloro-2-(3,4-dichloroanilino)benzamide
CID 141087561
5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid
CID 114890010
5-amino-2-(3,4-dimethylanilino)benzamide
CID 61307817
5-(sulfinoamino)-1H-indazole
CID 68877895
2-amino-5-(4-bromoanilino)benzamide
CID 61306724

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene?
The IUPAC name of 2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene (CID 57075836) is 2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene.
What is the SMILES notation for 2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene?
The canonical SMILES for 2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene is NNc1ccc(NS(=O)O)cc1C(N)=O.
What is the InChIKey of 2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene?
The InChIKey is QPTZEFCXICOYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S/c8-7(12)5-3-4(11-15(13)14)1-2-6(5)10-9/h1-3,10-11H,9H2,(H2,8,12)(H,13,14).
What are the key properties of 2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene?
2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene has a molecular weight of 230.25 g/mol, XLogP of -0.38, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-1-hydrazinyl-4-(sulfinoamino)benzene is sourced from PubChem (CID 57075836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).